ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate

C17H17F3N2O4 — CID 90292042

IUPACethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C
InChIInChI=1S/C17H17F3N2O4/c1-3-25-16(24)14-9-12(10-22(14)2)21-15(23)8-11-4-6-13(7-5-11)26-17(18,19)20/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)
InChIKeyXHPQNZDNXFSLEJ-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.28
Rot. Bonds6

About ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate

ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate (PubChem CID 90292042) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate
PubChem CID90292042
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Nameethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C
InChIInChI=1S/C17H17F3N2O4/c1-3-25-16(24)14-9-12(10-22(14)2)21-15(23)8-11-4-6-13(7-5-11)26-17(18,19)20/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)
InChIKeyXHPQNZDNXFSLEJ-UHFFFAOYSA-N
XLogP3.28
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate
CID 119342719
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
ethyl 4-[(1-aminocyclopropanecarbonyl)amino]-1-methylpyrrole-2-carboxylate;hydrochloride
CID 119817091
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
ethyl 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 119342742
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylate
CID 129319134
N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 177311596
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60506630

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate (CID 90292042) is ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate is CCOC(=O)c1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate?
The InChIKey is XHPQNZDNXFSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-3-25-16(24)14-9-12(10-22(14)2)21-15(23)8-11-4-6-13(7-5-11)26-17(18,19)20/h4-7,9-10H,3,8H2,1-2H3,(H,21,23).
What are the key properties of ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate?
ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate has a molecular weight of 370.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate is sourced from PubChem (CID 90292042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).